[1-[4-nitrooxybutanoyl(propan-2-yl)amino]-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-yl] 4-nitrooxybutanoate

Systemtic Name: [1-[4-nitrooxybutanoyl(propan-2-yl)amino]-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-yl] 4-nitrooxybutanoate Openeye Name: [1-[[4-(2-isopropoxyethoxymethyl)phenoxy]methyl]-2-[isopropyl(4-nitrooxybutanoyl)amino]ethyl] 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid [1-[(4-nitrooxy-1-oxobutyl)-propan-2-ylamino]-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-yl] ester IUPAC Name: [1-[4-nitrooxybutanoyl(propan-2-yl)amino]-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-yl] 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid [1-[[4-(2-isopropoxyethoxymethyl)phenoxy]methyl]-2-[isopropyl(4-nitrooxybutanoyl)amino]ethyl] ester Formula: C26H41N3O12 MolecularWeight: 587.61664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(COC1=CC=C(C=C1)COCCOC(C)C)OC(=O)CCCO[N+](=O)[O-])C(=O)CCCO[N+](=O)[O-]

Isomeric SMILES

CC(C)N(CC(COC1=CC=C(C=C1)COCCOC(C)C)OC(=O)CCCO[N+](=O)[O-])C(=O)CCCO[N+](=O)[O-]

InChI

InChI=1S/C26H41N3O12/c1-20(2)27(25(30)7-5-13-39-28(32)33)17-24(41-26(31)8-6-14-40-29(34)35)19-38-23-11-9-22(10-12-23)18-36-15-16-37-21(3)4/h9-12,20-21,24H,5-8,13-19H2,1-4H3